1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylundecan-2-amine

C18H35N3 — CID 105002717

IUPAC1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylundecan-2-amine
SMILESCCCCCCCCCC(Cc1cc(C)nn1CC)NC
InChIInChI=1S/C18H35N3/c1-5-7-8-9-10-11-12-13-17(19-4)15-18-14-16(3)20-21(18)6-2/h14,17,19H,5-13,15H2,1-4H3
InChIKeyBXDYYUMMJFSLKU-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.48
Rot. Bonds12

About 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylundecan-2-amine

1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylundecan-2-amine (PubChem CID 105002717) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylundecan-2-amine.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylundecan-2-amine
PubChem CID105002717
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylundecan-2-amine
SMILESCCCCCCCCCC(Cc1cc(C)nn1CC)NC
InChIInChI=1S/C18H35N3/c1-5-7-8-9-10-11-12-13-17(19-4)15-18-14-16(3)20-21(18)6-2/h14,17,19H,5-13,15H2,1-4H3
InChIKeyBXDYYUMMJFSLKU-UHFFFAOYSA-N
XLogP4.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylundecan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-N-methylundecan-2-amine
CID 104996240
1-(1,3-diethylpyrazol-5-yl)-N-methylhexan-2-amine
CID 79404804
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105162422
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 105002584
5-ethoxy-1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpentan-2-amine
CID 105162468
1-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ylhydrazine
CID 105201198
[1-(2-ethyl-5-methylpyrazol-3-yl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225595
1-(2-ethyl-5-methylpyrazol-3-yl)hexane-2,3-diol
CID 103454836
1-(2-ethyl-5-methylpyrazol-3-yl)heptan-1-ol
CID 105085263
1-(2,6-dimethyl-4-pyridinyl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 107503544
[1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylpentan-2-yl]hydrazine
CID 105219543
1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylheptan-2-amine
CID 105002201

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylundecan-2-amine?
The IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylundecan-2-amine (CID 105002717) is 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylundecan-2-amine.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylundecan-2-amine?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylundecan-2-amine is CCCCCCCCCC(Cc1cc(C)nn1CC)NC.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylundecan-2-amine?
The InChIKey is BXDYYUMMJFSLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-5-7-8-9-10-11-12-13-17(19-4)15-18-14-16(3)20-21(18)6-2/h14,17,19H,5-13,15H2,1-4H3.
What are the key properties of 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylundecan-2-amine?
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylundecan-2-amine has a molecular weight of 293.50 g/mol, XLogP of 4.48, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylundecan-2-amine is sourced from PubChem (CID 105002717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).